Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5425127

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
OC(CNCc1ccccc1Cl)Cn1c2ccccc2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425127
Phase Preclinical
Structure Type MOL
InChI Key AJNBLDNAEMQOMO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.9
MW (Da)
4.60
ALogP
3
HBA
2
HBD
37.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClN2O
MW 364.88
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.01

Activity Summary

IC50 2 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.8 4.8 16000.0 1
Dynamin-1
CHEMBL4958
 IC50 4.69 4.69 20400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 16000.0 nM 4.8 Inhibition of clathrin-mediated endocytosis in serum-starved human U2OS cells as... 36577213
Dynamin-1 IC50 = 20400.0 nM 4.69 Inhibition of phosphotidylserine liposome-stimulated Dynamin 1 (unknown origin) ... 36577213

Literature References

PubMed DOI Target Context # Activities
36577213 10.1016/j.ejmech.2022.115001 Dynamin-1 1
36577213 10.1016/j.ejmech.2022.115001 Unchecked 1

Data from ChEMBL 36 via Core Engine